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Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods.
Vishwesh Venkatraman
Violeta I. Pérez-Nueno
Lazaros Mavridis
David W. Ritchie
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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data sets
real world
high dimensional data
virtual screening
chemical structures
feature space
high throughput
statistical methods
computational methods